2-[(4-ethoxyphenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide

Systemtic Name: 2-[(4-ethoxyphenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(4-ethoxyanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(4-ethoxyanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(4-ethoxyanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(4-methylpyridin-1-ium-1-yl)-3-(p-phenetidino)-1,4-naphthoquinone iodide Formula: C24H21IN2O3 MolecularWeight: 512.33961

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[I-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[I-]

InChI

InChI=1S/C24H20N2O3.HI/c1-3-29-18-10-8-17(9-11-18)25-21-22(26-14-12-16(2)13-15-26)24(28)20-7-5-4-6-19(20)23(21)27;/h4-15H,3H2,1-2H3;1H